SCHEMBL463791

SCHEMBL463791

CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)CNC1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.43
KLHL20 Q9Y2M5 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GHSR Q92847 3/20 0.33
PRSS1 P07477 3/20 0.31
PRSS2 P07478 3/20 0.31
PRSS3 P35030 3/20 0.31
TERF2 Q15554 1/20 0.30
F2 P00734 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10290548 1.00 PLK4 (0.43) PLK4KLHL20HDAC4HDAC1HDAC6
SCHEMBL10290789 0.87 PLK4 (0.42) PLK4HDAC4HDAC1HDAC6GHSR
SCHEMBL463836 0.87 PLK4 (0.42) PLK4HDAC4HDAC1HDAC6GHSR
SCHEMBL415813 0.87 PLK4 (0.49) PLK4PRSS1PRSS2PRSS3F2
SCHEMBL414861 0.86 HDAC4 (0.35) PLK4KLHL20HDAC4HDAC1HDAC6
SCHEMBL10266892 0.86 HDAC4 (0.35) PLK4KLHL20HDAC4HDAC1HDAC6
SCHEMBL10258662 0.86 PLK4 (0.45) PLK4PRSS1PRSS2PRSS3F2
SCHEMBL10290482 0.86 PLK4 (0.45) PLK4PRSS1PRSS2PRSS3F2
SCHEMBL10258468 0.85 PLK4 (0.43) PLK4HDAC4HDAC1HDAC6GHSR
SCHEMBL463768 0.84 GHSR (0.40) PLK4GHSR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 PLK4 3151/4885KLHL20 2176/4885HDAC4 1222/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 PLK4 2796/4885KLHL20 2340/4885HDAC4 1339/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.